3-(3,4-dimethoxyphenyl)-4-methyl-7-(2-morpholin-4-ium-4-ylethoxy)chromen-2-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-methyl-7-(2-morpholin-4-ium-4-ylethoxy)chromen-2-one Openeye Name: 3-(3,4-dimethoxyphenyl)-4-methyl-7-(2-morpholin-4-ium-4-ylethoxy)chromen-2-one CAS Name: 3-(3,4-dimethoxyphenyl)-4-methyl-7-[2-(4-morpholin-4-iumyl)ethoxy]-1-benzopyran-2-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-methyl-7-(2-morpholin-4-ium-4-ylethoxy)chromen-2-one Traditional Name: 3-(3,4-dimethoxyphenyl)-4-methyl-7-(2-morpholin-4-ium-4-ylethoxy)coumarin Formula: C24H28NO6+ MolecularWeight: 426.48222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC[NH+]3CCOCC3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC[NH+]3CCOCC3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H27NO6/c1-16-19-6-5-18(30-13-10-25-8-11-29-12-9-25)15-21(19)31-24(26)23(16)17-4-7-20(27-2)22(14-17)28-3/h4-7,14-15H,8-13H2,1-3H3/p+1